CID 175101937

C7H11NNaO2S- — CID 175101937

IUPAC—
SMILESCc1ccccc1.NS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H8.H3NO2S.Na.H/c1-7-5-3-2-4-6-7;1-4(2)3;;/h2-6H,1H3;1H2,(H,2,3);;/q;;+1;-1/p-1
InChIKeyOQOWIOMZDJVGNN-UHFFFAOYSA-M
MW196.23 g/mol
LogP-2.15
Rot. Bonds

About CID 175101937

CID 175101937 (PubChem CID 175101937) has the molecular formula C7H11NNaO2S- and a molecular weight of 196.23 g/mol.

Molecular Properties

Compound NameCID 175101937
PubChem CID175101937
Molecular FormulaC7H11NNaO2S-
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name—
SMILESCc1ccccc1.NS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C7H8.H3NO2S.Na.H/c1-7-5-3-2-4-6-7;1-4(2)3;;/h2-6H,1H3;1H2,(H,2,3);;/q;;+1;-1/p-1
InChIKeyOQOWIOMZDJVGNN-UHFFFAOYSA-M
XLogP-2.15
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175101937?
The IUPAC name of CID 175101937 (CID 175101937) is not available.
What is the SMILES notation for CID 175101937?
The canonical SMILES for CID 175101937 is Cc1ccccc1.NS(=O)[O-].[H-].[Na+].
What is the InChIKey of CID 175101937?
The InChIKey is OQOWIOMZDJVGNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.H3NO2S.Na.H/c1-7-5-3-2-4-6-7;1-4(2)3;;/h2-6H,1H3;1H2,(H,2,3);;/q;;+1;-1/p-1.
What are the key properties of CID 175101937?
CID 175101937 has a molecular weight of 196.23 g/mol, XLogP of -2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175101937 is sourced from PubChem (CID 175101937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).